Information card for entry 4108067

Structure parameters

• Chemical name: (iPr2Im)2(F)(C6F5)Ni(II)
• Formula: C24 H34 F6 N4 Ni O
• Calculated formula: C24 H34 F6 N4 Ni O
• SMILES: [Ni](F)(c1c(F)c(F)c(F)c(F)c1F)(=C1N(C(C)C)C=CN1C(C)C)=C1N(C(C)C)C=CN1C(C)C.O
• Title of publication: C-F Activation of Fluorinated Arenes using NHC-Stabilized Nickel(0) Complexes: Selectivity and Mechanistic Investigations
• Authors of publication: Thomas Schaub; Peter Fischer; Andreas Steffen; Thomas Braun; Udo Radius; Andreas Mix
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9304 - 9317
• a: 10.801 ± 0.002 Å
• b: 10.801 ± 0.0014 Å
• c: 24.033 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2803.7 ± 0.7 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No